Vitas-M small molecule compound
2-(azepan-1-yl)-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
Catalog ID
STK844174
SMILES Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H22N6O2 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O2/c1-12-6-8-13(9-7-12)19-16-14(23(24)25)15(18)20-17(21-16)22-10-4-2-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H3,18,19,20,21)InChIKey
IQBQDCBJKOGCQO-UHFFFAOYSA-NSynonyms
799834-93-8(6AMINO2AZAPERHYDROEPINYL5NITROPYRIMIDIN4YL)(4METHYLPHENYL)AMINE
2(AZEPAN1YL)4N(4METHYLPHENYL)5NITROPYRIMIDINE46DIAMINE
2(azepan1yl)5nitroN4(ptolyl)pyrimidine46diamine
2(azepan1yl)N(4methylphenyl)5nitropyrimidine46diamine
799834938
CC1=CC=C(C=C1)NC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCCCCC3
Cc1ccc(cc1)Nc1nc(nc(c1(N+)(=O)(O))N)N1CCCCCC1
InChI=1SC17H22N6O2c1126813(9712)191614(23(24)25)15(18)2017(2116)221042351122h69H251011H21H3(H318192021)
MFCD03685088
ZINC000004305909
ZINC04305909
ZINC4305909
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